(2R)-2-amino-3-(diethylamino)propanoic acid

C7H16N2O2 — CID 45082341

IUPAC(2R)-2-amino-3-(diethylamino)propanoic acid
SMILESCCN(CC)C[C@@H](N)C(=O)O
InChIInChI=1S/C7H16N2O2/c1-3-9(4-2)5-6(8)7(10)11/h6H,3-5,8H2,1-2H3,(H,10,11)/t6-/m1/s1
InChIKeyMWPNPNLDBXDQCC-ZCFIWIBFSA-N
MW160.22 g/mol
LogP-0.26
Rot. Bonds5

About (2R)-2-amino-3-(diethylamino)propanoic acid

(2R)-2-amino-3-(diethylamino)propanoic acid (PubChem CID 45082341) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (2R)-2-amino-3-(diethylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(diethylamino)propanoic acid
PubChem CID45082341
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name(2R)-2-amino-3-(diethylamino)propanoic acid
SMILESCCN(CC)C[C@@H](N)C(=O)O
InChIInChI=1S/C7H16N2O2/c1-3-9(4-2)5-6(8)7(10)11/h6H,3-5,8H2,1-2H3,(H,10,11)/t6-/m1/s1
InChIKeyMWPNPNLDBXDQCC-ZCFIWIBFSA-N
XLogP-0.26
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[3-(diethylamino)propyl-ethylamino]propanoic acid
CID 102994758
(2R)-2-amino-3-(diethylamino)propanamide
CID 94048632
(2S)-2-amino-3-[bis(sulfanyl)amino]propanoic acid
CID 146014553
4-amino-5-(diethylamino)pent-1-en-3-one
CID 88510307
2-aminobutanoic acid;ethane
CID 90764297
(2S)-2-amino-6-(diethylamino)hexanoic acid
CID 53320301
(2S)-2-amino-3-(dimethylamino)propanoic acid;hydrate;dihydrochloride
CID 90471472
2-amino-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanoic acid
CID 65473819
aluminum 2-aminobutanoic acid
CID 19792235
2-aminobutanoic acid;sulfane
CID 162128083
(2S)-2-amino-3-[carbamoyl(hydroxy)amino]propanoic acid
CID 45122458
(3R)-3-amino-5-(diethylamino)pentan-2-one
CID 88995223

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(diethylamino)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(diethylamino)propanoic acid (CID 45082341) is (2R)-2-amino-3-(diethylamino)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(diethylamino)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(diethylamino)propanoic acid is CCN(CC)C[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(diethylamino)propanoic acid?
The InChIKey is MWPNPNLDBXDQCC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-3-9(4-2)5-6(8)7(10)11/h6H,3-5,8H2,1-2H3,(H,10,11)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-3-(diethylamino)propanoic acid?
(2R)-2-amino-3-(diethylamino)propanoic acid has a molecular weight of 160.22 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(diethylamino)propanoic acid is sourced from PubChem (CID 45082341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).